SCHEMBL30404652

SCHEMBL30404652

CCCCOC(=O)N1CCN(CCBr)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
HRH2 P25021 16/20 0.54
HRH1 P35367 16/20 0.54
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9405372 0.85 POLB (0.73) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL46979 0.84 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL3966262 0.84 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL29991910 0.83 HRH2 (0.56) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL27166403 0.83 HRH2 (0.56) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL4199473 0.82 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL5594524 0.82 POLB (0.65) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL28015674 0.81 HRH2 (0.54) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL29991263 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL14670199 0.78 HRH2 (0.56) SMN1; SMN2POLBHRH2HRH1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 EP disclosed